Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate

Name: Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₃₉NO₄Si — CID 11682975

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate

SMILESCC(C)(C)OC(=O)N(CCC(O)CO[Si](C)(C)C(C)(C)C)Cc1ccccc1

InChIInChI=1S/C22H39NO4Si/c1-21(2,3)27-20(25)23(16-18-12-10-9-11-13-18)15-14-19(24)17-26-28(7,8)22(4,5)6/h9-13,19,24H,14-17H2,1-8H3

InChIKeyJDDHLRUHQUWLHK-UHFFFAOYSA-N

MW409.64 g/mol

LogP5.20

Rot. Bonds8

About Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate

Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate (PubChem CID 11682975) has the molecular formula C₂₂H₃₉NO₄Si and a molecular weight of 409.64 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate.

Molecular Properties

Compound Name	Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate
PubChem CID	11682975
Molecular Formula	C₂₂H₃₉NO₄Si
Molecular Weight	409.64 g/mol
Exact Mass	409.26
IUPAC Name	tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate
SMILES	CC(C)(C)OC(=O)N(CCC(O)CO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChI	InChI=1S/C22H39NO4Si/c1-21(2,3)27-20(25)23(16-18-12-10-9-11-13-18)15-14-19(24)17-26-28(7,8)22(4,5)6/h9-13,19,24H,14-17H2,1-8H3
InChIKey	JDDHLRUHQUWLHK-UHFFFAOYSA-N
XLogP	5.20
TPSA	59.00 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.64
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate?

The IUPAC name of Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate (CID 11682975) is tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate.

What is the SMILES notation for Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate?

The canonical SMILES for Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate is CC(C)(C)OC(=O)N(CCC(O)CO[Si](C)(C)C(C)(C)C)Cc1ccccc1.

What is the InChIKey of Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate?

The InChIKey is JDDHLRUHQUWLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4Si/c1-21(2,3)27-20(25)23(16-18-12-10-9-11-13-18)15-14-19(24)17-26-28(7,8)22(4,5)6/h9-13,19,24H,14-17H2,1-8H3.

What are the key properties of Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate?

Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate has a molecular weight of 409.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate is sourced from PubChem (CID 11682975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 11682975 — identifiers, structure, computed properties (public domain)

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